4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide

C11H12BrClN2O2 — CID 107620314

IUPAC4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12BrClN2O2/c12-8-2-1-6(3-9(8)13)15-11(16)7-4-17-5-10(7)14/h1-3,7,10H,4-5,14H2,(H,15,16)
InChIKeyGYFRVDSZRVAGSI-UHFFFAOYSA-N
MW319.59 g/mol
LogP2.01
Rot. Bonds2

About 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide

4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide (PubChem CID 107620314) has the molecular formula C11H12BrClN2O2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
PubChem CID107620314
Molecular FormulaC11H12BrClN2O2
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C11H12BrClN2O2/c12-8-2-1-6(3-9(8)13)15-11(16)7-4-17-5-10(7)14/h1-3,7,10H,4-5,14H2,(H,15,16)
InChIKeyGYFRVDSZRVAGSI-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
CID 66235659
4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66240431
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide
CID 107336426
2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107618657
4-amino-N-(4-bromo-3,5-dimethylphenyl)oxolane-3-carboxamide
CID 107574306
4-amino-N-(3-iodo-4-methylphenyl)oxolane-3-carboxamide
CID 66239031
4-[(4-aminooxolane-3-carbonyl)amino]benzoic acid
CID 66238273
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide (CID 107620314) is 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide?
The InChIKey is GYFRVDSZRVAGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2O2/c12-8-2-1-6(3-9(8)13)15-11(16)7-4-17-5-10(7)14/h1-3,7,10H,4-5,14H2,(H,15,16).
What are the key properties of 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide?
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide has a molecular weight of 319.59 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 107620314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).